4CT3

Methylmercury chloride derivative structure of the lytic CHAPK domain of the endolysin LysK from Staphylococcus aureus bacteriophage K

Functional Information from PDB Data

site_id	AC1
Number of Residues	12
Details	BINDING SITE FOR RESIDUE CMH E 54

Chain	Residue
E	GLN53
E	EPE203
E	HOH321
E	HOH369
E	GLN55
E	ASP56
E	LEU57
E	GLY116
E	HIS117
E	ILE118
E	GLN135
E	CL201

---

site_id	AC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL E 201

Chain	Residue
E	HIS117
E	CMH54

---

site_id	AC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL E 202

Chain	Residue
E	ARG11
E	SER22
E	PRO23
E	ASP60
E	TRP64
E	ASN68
E	MMC205

---

site_id	AC4
Number of Residues	11
Details	BINDING SITE FOR RESIDUE EPE E 203

Chain	Residue
E	PHE36
E	TYR50
E	GLN53
E	GLN55
E	ASN75
E	ALA76
E	TRP115
E	CMH54
E	HOH415
E	HOH412
E	HOH375

---

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA E 204

Chain	Residue
E	ASP45
E	ASP47
E	TYR49
E	HIS51
E	ASP56
E	HOH385

---

site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MMC E 205

Chain	Residue
E	LYS3
E	TRP64
E	ASP67
E	ASN68
E	GOL202

---

site_id	AC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MMC E 206

Chain	Residue
E	ILE90
E	HIS91
E	HOH408

---

site_id	AC8
Number of Residues	1
Details	BINDING SITE FOR RESIDUE HG E 207

Chain	Residue
E	ALA2

---

site_id	AC9
Number of Residues	2
Details	BINDING SITE FOR RESIDUE HG E 208

Chain	Residue
E	GLY110
E	SER111

---

site_id	BC1
Number of Residues	12
Details	BINDING SITE FOR RESIDUE CMH G 54

Chain	Residue
G	GLN53
G	GLN55
G	ASP56
G	LEU57
G	GLY116
G	HIS117
G	ILE118
G	GLN135
G	CL201
G	EPE202
G	HOH336
G	HOH383

---

site_id	BC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CL G 201

Chain	Residue
G	GLY116
G	HIS117
G	CMH54
G	HOH336

---

site_id	BC3
Number of Residues	11
Details	BINDING SITE FOR RESIDUE EPE G 202

Chain	Residue
G	PHE36
G	TYR50
G	GLN53
G	GLN55
G	ASN75
G	ALA76
G	TRP115
G	CMH54
G	HOH324
G	HOH421
G	HOH339

---

site_id	BC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA G 203

Chain	Residue
G	ASP45
G	ASP47
G	TYR49
G	HIS51
G	ASP56
G	HOH386

---

site_id	BC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE MMC G 204

Chain	Residue
G	ILE90
G	HIS91

---

site_id	BC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MMC G 205

Chain	Residue
G	LYS3
G	TRP64
G	ASP67
G	ASN68

---

site_id	BC7
Number of Residues	1
Details	BINDING SITE FOR RESIDUE HG G 206

Chain	Residue
G	ALA2

---

site_id	BC8
Number of Residues	2
Details	BINDING SITE FOR RESIDUE HG G 207

Chain	Residue
G	GLY110
G	SER111

---

site_id	BC9
Number of Residues	11
Details	BINDING SITE FOR RESIDUE CMH I 54

Chain	Residue
I	EPE201
I	HOH322
I	HOH332
I	GLN53
I	GLN55
I	ASP56
I	LEU57
I	GLY116
I	HIS117
I	ILE118
I	GLN135

---

site_id	CC1
Number of Residues	10
Details	BINDING SITE FOR RESIDUE EPE I 201

Chain	Residue
I	TYR50
I	GLN53
I	GLN55
I	ASN75
I	ALA76
I	TRP115
I	CMH54
I	HOH309
I	HOH422
I	HOH369

---

site_id	CC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA I 202

Chain	Residue
I	ASP45
I	ASP47
I	TYR49
I	HIS51
I	ASP56
I	HOH392

---

site_id	CC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE MMC I 203

Chain	Residue
I	ILE90
I	HIS91

---

site_id	CC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MMC I 204

Chain	Residue
I	LYS3
I	TRP64
I	ASP67
I	HOH485

---

site_id	CC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE HG I 205

Chain	Residue
I	HIS117
I	HOH418

---

site_id	CC6
Number of Residues	11
Details	BINDING SITE FOR RESIDUE CMH K 54

Chain	Residue
K	GLN53
K	GLN55
K	ASP56
K	LEU57
K	GLY116
K	HIS117
K	ILE118
K	GLN135
K	EPE202
K	HOH320
K	HOH327

---

site_id	CC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL K 201

Chain	Residue
E	LYS81
E	HOH302
K	ARG71
K	THR72
K	TRP73

---

site_id	CC8
Number of Residues	10
Details	BINDING SITE FOR RESIDUE EPE K 202

Chain	Residue
K	TYR50
K	GLN53
K	GLN55
K	ASN75
K	ALA76
K	TRP115
K	CMH54
K	HOH359
K	HOH312
K	HOH402

---

site_id	CC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA K 203

Chain	Residue
K	ASP45
K	ASP47
K	TYR49
K	HIS51
K	ASP56
K	HOH371

---

site_id	DC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MMC K 204

Chain	Residue
K	ILE90
K	HIS91
K	HOH383

---

site_id	DC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MMC K 205

Chain	Residue
K	LYS3
K	TRP64
K	ASP67
K	ASN68

---

site_id	DC3
Number of Residues	1
Details	BINDING SITE FOR RESIDUE HG K 206

Chain	Residue
K	HIS117

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	8
Details	Active site: {"description":"For endopeptidase activity","evidences":[{"source":"PubMed","id":"25064136","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	Active site: {"description":"For endopeptidase activity","evidences":[{"source":"PubMed","id":"25064136","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	20
Details	Binding site: {"evidences":[{"source":"PubMed","id":"25064136","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4CSH","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4CT3","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---